4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine

C17H13ClF2N4O — CID 112904387

IUPAC4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Cl)cc1Nc1ccnc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C17H13ClF2N4O/c1-25-14-6-5-10(18)9-13(14)22-15-7-8-21-17(23-15)24-16-11(19)3-2-4-12(16)20/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyCVCNQNULPWTSQM-UHFFFAOYSA-N
MW362.77 g/mol
LogP4.90
Rot. Bonds5

About 4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine

4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine (PubChem CID 112904387) has the molecular formula C17H13ClF2N4O and a molecular weight of 362.77 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
PubChem CID112904387
Molecular FormulaC17H13ClF2N4O
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Name4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Cl)cc1Nc1ccnc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C17H13ClF2N4O/c1-25-14-6-5-10(18)9-13(14)22-15-7-8-21-17(23-15)24-16-11(19)3-2-4-12(16)20/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyCVCNQNULPWTSQM-UHFFFAOYSA-N
XLogP4.90
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
CID 112906745
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904430
2-N-(3-chloro-4-fluorophenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904156
2-N-(5-chloro-2-methoxyphenyl)-4-N-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112903920
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112904397
4-N-(5-chloro-2-methoxyphenyl)-2-N-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112903886
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112904018
4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80763652
2-N-(2-tert-butylphenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903352
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902498
4-N-(2,5-dichlorophenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905091
methyl 2-[[2-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 112904407

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine (CID 112904387) is 4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine is COc1ccc(Cl)cc1Nc1ccnc(Nc2c(F)cccc2F)n1.
What is the InChIKey of 4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is CVCNQNULPWTSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4O/c1-25-14-6-5-10(18)9-13(14)22-15-7-8-21-17(23-15)24-16-11(19)3-2-4-12(16)20/h2-9H,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine?
4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 362.77 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112904387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).